AE62246
1261975-80-7 | 2-[4-(Ethoxycarbonyl)-3-fluorophenyl]phenol
Manufacturer: A2B Chem
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CatalogNumber
AE62246
ChemicalName
2-[4-(Ethoxycarbonyl)-3-fluorophenyl]phenol
CasNumber
1261975-80-7
MolecularFormula
C15H13FO3
MolecularWeight
260.2603
MdlNumber
MFCD18313010
Smiles
CCOC(=O)c1ccc(cc1F)c1ccccc1O
Complexity
308
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.5
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CatalogNumber: AE62246
ChemicalName: 2-[4-(Ethoxycarbonyl)-3-fluorophenyl]phenol
CasNumber: 1261975-80-7
MolecularFormula: C15H13FO3
MolecularWeight: 260.2603
MdlNumber: MFCD18313010
Smiles: CCOC(=O)c1ccc(cc1F)c1ccccc1O
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AE62246
ChemicalName:
2-[4-(Ethoxycarbonyl)-3-fluorophenyl]phenol
CasNumber:
1261975-80-7
MolecularFormula:
C15H13FO3
MolecularWeight:
260.2603
MdlNumber:
MFCD18313010
Smiles:
CCOC(=O)c1ccc(cc1F)c1ccccc1O
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.5
CatalogNumber: AE62247
ChemicalName: 4-Chloro-2-(N,N-dimethylaminomethyl)phenylboronic acid, pinacol ester
CasNumber: 1384216-47-0
MolecularFormula: C15H23BClNO2
MolecularWeight: 295.6126
MdlNumber: MFCD18730244
Smiles: CN(Cc1cc(Cl)ccc1B1OC(C(O1)(C)C)(C)C)C
Complexity: 333
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AE62247
ChemicalName:
4-Chloro-2-(N,N-dimethylaminomethyl)phenylboronic acid, pinacol ester
CasNumber:
1384216-47-0
MolecularFormula:
C15H23BClNO2
MolecularWeight:
295.6126
MdlNumber:
MFCD18730244
Smiles:
CN(Cc1cc(Cl)ccc1B1OC(C(O1)(C)C)(C)C)C
Complexity:
333
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: AE62248
ChemicalName: 5-Fluoro-3-(2-methoxyphenyl)benzoic acid
CasNumber: 1261924-27-9
MolecularFormula: C14H11FO3
MolecularWeight: 246.2337
MdlNumber: MFCD18319481
Smiles: COc1ccccc1c1cc(F)cc(c1)C(=O)O
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AE62248
ChemicalName:
5-Fluoro-3-(2-methoxyphenyl)benzoic acid
CasNumber:
1261924-27-9
MolecularFormula:
C14H11FO3
MolecularWeight:
246.2337
MdlNumber:
MFCD18319481
Smiles:
COc1ccccc1c1cc(F)cc(c1)C(=O)O
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: AE62249
ChemicalName: 4-Fluoro-3-(2-methylphenyl)benzoic acid
CasNumber: 1261952-70-8
MolecularFormula: C14H11FO2
MolecularWeight: 230.2343
MdlNumber: MFCD18318913
Smiles: OC(=O)c1ccc(c(c1)c1ccccc1C)F
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AE62249
ChemicalName:
4-Fluoro-3-(2-methylphenyl)benzoic acid
CasNumber:
1261952-70-8
MolecularFormula:
C14H11FO2
MolecularWeight:
230.2343
MdlNumber:
MFCD18318913
Smiles:
OC(=O)c1ccc(c(c1)c1ccccc1C)F
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.5